SCHEMBL4657885

SCHEMBL4657885

NC(=O)c1sc2nccc(OCc3ccccc3)c2c1N

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.70
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HTT P42858 2/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 2/20 0.57
TSHR P16473 2/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LIMK1 P53667 3/20 0.55
CDK8 P49336 9/20 0.54
CDK19 Q9BWU1 3/20 0.54
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CHUK O15111 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14110798 0.90 IKBKB (0.59) IKBKBALDH1A1KDM4EHTTHPGD
SCHEMBL4657097 0.87 IKBKB (0.72) IKBKBALDH1A1KDM4EHTTHPGD
SCHEMBL4658240 0.86 IKBKB (0.66) IKBKBALDH1A1KDM4EHTTHPGD
SCHEMBL5653214 0.84 IKBKB (0.74) IKBKBALDH1A1KDM4EHTTHPGD
SCHEMBL4659211 0.82 IKBKB (1.00) IKBKBALDH1A1KDM4EHTTHPGD
SCHEMBL4656539 0.80 IKBKB (1.00) IKBKBALDH1A1KDM4EHTTHPGD
SCHEMBL4658241 0.79 IKBKB (1.00) IKBKBALDH1A1KDM4EHTTHPGD
SCHEMBL13979558 0.79 IKBKB (0.59) IKBKBALDH1A1KDM4EHTTLIMK1
SCHEMBL5105504 0.78 PARP1 (0.44) IKBKBALDH1A1KDM4EHTTHPGD
SCHEMBL14110685 0.78 IKBKB (0.55) IKBKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2008654-A1 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amides Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-12-31 EP disclosed
EP-1513516-B1 SUBSTITUTED 3-AMINO-THIENO(2,3-b) PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM PHARMA (US) 2008-12-03 EP disclosed
EP-1513516-B1 SUBSTITUTED 3-AMINO-THIENO(2,3-b) PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM PHARMA (US) 2008-12-03 EP disclosed
US-7405225-B2 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
CN-100386329-C Substituted 3-amino-thieno(2,3-b)pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMA (US) 2008-05-07 CN disclosed
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
CN-1968954-A Thienopyridine Derivatives SANKYO CO (JP) 2007-05-23 CN disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-20050288285-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
US-6974870-B2 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHAMACEUTICALS, INC. (US) 2005-12-13 US disclosed
US-6964956-B2 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-15 US disclosed
US-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-16 US disclosed
US-20040053957-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040053957-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKB, CHUK IKBKB 2/4885ALDH1A1 2562/4885KDM4E 1110/4885
US-20050288285-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, CHUK, IKBKB IKBKB 3/4885ALDH1A1 2206/4885KDM4E 831/4885
US-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKB, CHUK IKBKB 2/4885ALDH1A1 2562/4885KDM4E 1110/4885
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 IKBKB 1715/4885ALDH1A1 1073/4885KDM4E 1851/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.